CAS RN: 135064-15-2
CAS Name: (2E)-4-hydroxypenta-2,4-dienoic acid
OPENEYE Name: (2E)-4-hydroxypenta-2,4-dienoic acid
IUPAC Name: (2E)-4-hydroxypenta-2,4-dienoic acid
SYSTEMATIC NAME: (2E)-4-oxidanylpenta-2,4-dienoic acid
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: C=C(/C=C/C(=O)O)O
Structure:
CAS RN: 134915-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35ClO13
MOLECULAR WEIGHT: 615.0227
SMILES: C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)O)OC(=O)C)OC(=O)C)C)OC(=O)C)O
Structure:
CAS RN: 58458-54-1
CAS Name: (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenyl-3-butenamide
OPENEYE Name: (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenyl-but-3-enamide
IUPAC Name: (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SYSTEMATIC NAME: (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenyl-but-3-enamide
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: C/C(=C\C1=CC=CC=C1)/CC(=O)N(CCO)CCO
Structure:
CAS RN: 58458-53-0
CAS Name: (E)-N-cyclohexyl-3-methyl-4-phenyl-3-butenamide
OPENEYE Name: (E)-N-cyclohexyl-3-methyl-4-phenyl-but-3-enamide
IUPAC Name: (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide
SYSTEMATIC NAME: (E)-N-cyclohexyl-3-methyl-4-phenyl-but-3-enamide
MOLECULAR FORMULA: C17H23NO
MOLECULAR WEIGHT: 257.37062
SMILES: C/C(=C\C1=CC=CC=C1)/CC(=O)NC2CCCCC2
Structure:
CAS RN: 192231-16-6
CAS Name: (E)-2-butenedioic acid; 3-ethynyl-5-(1-methyl-2-pyrrolidinyl)pyridine
OPENEYE Name: 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CN1CCCC1C2=CN=CC(=C2)C#C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 179120-52-6
CAS Name: (E)-2-butenedioic acid; 3-ethynyl-5-(1-methyl-2-pyrrolidinyl)pyridine
OPENEYE Name: 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CN1CCCC1C2=CN=CC(=C2)C#C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 169285-98-7
CAS Name: (4R,5S)-6-(1-hydroxyethyl)-3-[[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5S)-6-(1-hydroxyethyl)-4-methyl-3-[(3S,5S)-5-[(E)-3-(methylsulfonylamino)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H27N3O6S2
MOLECULAR WEIGHT: 445.55348
SMILES: C[C@@H]1[C@@H]2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)/C=C/CNS(=O)(=O)C)C(=O)O)C(C)O
Structure:
CAS RN: 168433-87-2
CAS Name: 3,4,5-trihydroxybenzoic acid [(E)-2-cyano-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]but-2-enyl] ester
OPENEYE Name: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enyl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-but-2-enyl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C18H21NO11
MOLECULAR WEIGHT: 427.35944
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC/C(=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C#N
Structure:
CAS RN: 168433-86-1
CAS Name: (Z)-2-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-butenenitrile
OPENEYE Name: (Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile
IUPAC Name: (Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
SYSTEMATIC NAME: (Z)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-but-2-enenitrile
MOLECULAR FORMULA: C11H17NO6
MOLECULAR WEIGHT: 259.25578
SMILES: C/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C#N
Structure:
CAS RN: 167889-18-1
CAS Name: (E)-2-butenedioic acid; N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline
OPENEYE Name: fumaric acid; N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitro-aniline
IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitro-aniline
MOLECULAR FORMULA: C19H25N3O6
MOLECULAR WEIGHT: 391.4183
SMILES: C1CC2(CCCN2C1)CCNC3=CC=CC=C3[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 167782-17-4
CAS Name: (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-2-hydroxy-2-methyl-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoic acid methyl ester
OPENEYE Name: methyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-2-hydroxy-2-methyl-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,10-dimethyl-11-oxo-undeca-3,5,9-trienoate
IUPAC Name: methyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-2-hydroxy-2-methyl-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate
SYSTEMATIC NAME: methyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,5R)-2-methyl-2-oxidanyl-4-oxidanylidene-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-11-oxidanylidene-undeca-3,5,9-trienoate
MOLECULAR FORMULA: C21H27NO6
MOLECULAR WEIGHT: 389.44218
SMILES: C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)[C@@]12[C@@H](O1)C(NC2=O)(C)O)/C(=O)OC
Structure:
CAS RN: 166664-87-5
CAS Name: (E)-octadec-9-en-17-ynoic acid
OPENEYE Name: (E)-octadec-9-en-17-ynoic acid
IUPAC Name: (E)-octadec-9-en-17-ynoic acid
SYSTEMATIC NAME: (E)-octadec-9-en-17-ynoic acid
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: C#CCCCCCC/C=C/CCCCCCCC(=O)O
Structure:
CAS RN: 162857-55-8
CAS Name: 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]-3-pyrancarboxaldehyde
OPENEYE Name: 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
IUPAC Name: 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
SYSTEMATIC NAME: 5-(hydroxymethyl)-4-methoxy-6-oxidanylidene-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: C/C=C/C1=C(C(=C(C(=O)O1)CO)OC)C=O
Structure:
CAS RN: 162679-36-9
CAS Name: (Z)-5-dodecenoic acid [(3R)-1-[[(2R,3R,4R,5S,6R)-3-(1,3-dioxotetradecylamino)-2-[[(2R,3S,4R,5R,6R)-5-(1,3-dioxotetradecylamino)-3-hydroxy-4-[(3R)-3-hydroxydecoxy]-6-phosphonooxy-2-oxanyl]methoxy]-6-(methoxymethyl)-5-phosphonooxy-4-oxanyl]oxy]decan-3-yl] e
OPENEYE Name: [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3-hydroxy-4-[(3R)-3-hydroxydecoxy]-5-(3-oxotetradecanoylamino)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-6-(methoxymethyl)-3-(3-oxotetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl]oxyethyl]octyl]
IUPAC Name: [(3R)-1-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3-hydroxy-4-[(3R)-3-hydroxydecoxy]-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-6-(methoxymethyl)-3-(3-oxotetradecanoylamino)-5-phosphonooxyoxan-4-yl]oxydecan-3-yl] (Z)-dodec-5-enoate
SYSTEMATIC NAME: [(3R)-1-[(2R,3S,4R,5R,6R)-2-(methoxymethyl)-5-(3-oxidanylidenetetradecanoylamino)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3R)-3-oxidanyldecoxy]-5-(3-oxidanylidenetetradecanoylamino)-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-4-yl]oxydecan-3-yl] (Z)
MOLECULAR FORMULA: C73H136N2O22P2
MOLECULAR WEIGHT: 1455.808662
SMILES: CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC(=O)CCC/C=C\CCCCCC)NC(=O)CC(=O)CCCCCCCCCCC)O)OCC[C@@H](CCCCCCC)O
Structure:
CAS RN: 162600-54-6
CAS Name: (E)-N-[(2R)-2-formyl-5-imino-1-(4-methoxyphenyl)-3-oxopentan-2-yl]-5-hydroxy-N-(2-hydroxy-4-methyl-1-oxopentyl)-6-(3-phenyl-2-oxiranyl)-2-heptenamide
OPENEYE Name: (E)-N-[(1R)-1-formyl-4-imino-1-[(4-methoxyphenyl)methyl]-2-oxo-butyl]-5-hydroxy-N-(2-hydroxy-4-methyl-pentanoyl)-6-(3-phenyloxiran-2-yl)hept-2-enamide
IUPAC Name: (E)-N-[(2R)-2-formyl-5-imino-1-(4-methoxyphenyl)-3-oxopentan-2-yl]-5-hydroxy-N-(2-hydroxy-4-methylpentanoyl)-6-(3-phenyloxiran-2-yl)hept-2-enamide
SYSTEMATIC NAME: (E)-N-[(2R)-5-azanylidene-2-methanoyl-1-(4-methoxyphenyl)-3-oxidanylidene-pentan-2-yl]-N-(4-methyl-2-oxidanyl-pentanoyl)-5-oxidanyl-6-(3-phenyloxiran-2-yl)hept-2-enamide
MOLECULAR FORMULA: C34H42N2O8
MOLECULAR WEIGHT: 606.70588
SMILES: CC(C)CC(C(=O)N(C(=O)/C=C/CC(C(C)C1C(O1)C2=CC=CC=C2)O)[C@](CC3=CC=C(C=C3)OC)(C=O)C(=O)CC=N)O
Structure:
CAS RN: 161466-45-1
CAS Name: (Z)-9-octadecenoic acid 1,3-bis[7-(3-amino-2,4,6-triiodophenyl)-1-oxoheptoxy]propan-2-yl ester
OPENEYE Name: [2-[7-(3-amino-2,4,6-triiodo-phenyl)heptanoyloxy]-1-[7-(3-amino-2,4,6-triiodo-phenyl)heptanoyloxymethyl]ethyl] (Z)-octadec-9-enoate
IUPAC Name: 1,3-bis[7-(3-amino-2,4,6-triiodophenyl)heptanoyloxy]propan-2-yl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 1,3-bis[7-[3-azanyl-2,4,6-tris(iodanyl)phenyl]heptanoyloxy]propan-2-yl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C47H68I6N2O6
MOLECULAR WEIGHT: 1518.47944
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC1=C(C(=C(C=C1I)I)N)I)COC(=O)CCCCCCC2=C(C(=C(C=C2I)I)N)I
Structure:
CAS RN: 161300-74-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H50N2O6
MOLECULAR WEIGHT: 606.792
SMILES: CC1/C=C/C(=C/C2C=CC3C(C2(/C=C/C(=C/C=C\C(=O)OC1/C(=C/C(C)NC(=O)C)/C)/C)C)CC(CC3OC(=O)N)OC)/C
Structure:
CAS RN: 159768-97-5
CAS Name: (1S,2S,3E,4R,6R)-5,5,6-trichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane
OPENEYE Name: (1R,3R,4S,5S,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylene)-5-(dichloromethyl)norbornane
IUPAC Name: (1S,2S,3E,4R,6R)-5,5,6-trichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane
SYSTEMATIC NAME: (1S,2S,3E,4R,6R)-2-[bis(chloranyl)methyl]-5,5,6-tris(chloranyl)-3-(chloranylmethylidene)-2-(chloromethyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H9Cl7
MOLECULAR WEIGHT: 377.34946
SMILES: C1[C@@H]2[C@H](C([C@H]1/C(=C\Cl)/[C@@]2(CCl)C(Cl)Cl)(Cl)Cl)Cl
Structure:
CAS RN: 159544-15-7
CAS Name: 4-[10-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3
OPENEYE Name: 4-[6-[[1-[[2-[[1-[[1-[[2-[[2-[[3-[[2-(dimethylamino)-1-methyl-ethyl]amino]-3-oxo-propyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-2-hydrox
IUPAC Name: 4-[10-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3
SYSTEMATIC NAME: 4-[10-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-3-oxidanylidene-propyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanyliden
MOLECULAR FORMULA: C66H115N11O16
MOLECULAR WEIGHT: 1318.6834
SMILES: CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)OC(=O)CCC(=O)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C
Structure:
CAS RN: 159309-72-5
CAS Name: (E)-2-butenedioic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
OPENEYE Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C(=C/C(=O)O)\C(=O)O
Structure:
No comments:
Post a Comment